SIMILAR PATTERNS OF AMINO ACIDS FOR 3A7E_A_SAMA216

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 MET A  61
GLU A  85
TYR A  89
TYR A  92
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.7A)
None
None
 0.90A 3a7eA-1susA:
21.5		 3a7eA-1susA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 VAL A  62
GLU A  15
TYR A  32
HIS A  16
ARG A  40
 None
 1.27A 3a7eA-1vkzA:
3.5		 3a7eA-1vkzA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f2l PEPTIDOGLYCAN
RECOGNITION
PROTEIN-LC ISOFORM
LCX

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 VAL X 381
TYR X 410
CYH X 451
SER X 429
HIS X 421
 None
 1.42A 3a7eA-2f2lX:
0.9		 3a7eA-2f2lX:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gp4 6-PHOSPHOGLUCONATE
DEHYDRATASE

(Shewanella
oneidensis) 		PF00920
(ILVD_EDD) 		5 GLU A 384
TYR A 215
ASN A 248
SER A 245
GLN A 231
 None
 1.39A 3a7eA-2gp4A:
1.4		 3a7eA-2gp4A:
15.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		12 MET A  40
VAL A  42
GLU A  64
TYR A  68
TYR A  71
ASN A  92
CYH A  95
SER A 119
GLN A 120
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 ( 4.2A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.41A 3a7eA-3bwmA:
38.9		 3a7eA-3bwmA:
98.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLU A  77
TYR A  84
ASN A 104
GLN A 154
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
SO4  A 233 (-4.9A)
None
None
 0.94A 3a7eA-3ntvA:
21.5		 3a7eA-3ntvA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bsx TIR
DOMAIN-CONTAINING
ADAPTER MOLECULE 1

(Homo sapiens) 		no annotation 5 VAL A  96
GLU A 120
TYR A 118
TYR A 100
SER A 127
 None
 1.48A 3a7eA-4bsxA:
0.1		 3a7eA-4bsxA:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		7 GLU A 107
TYR A 114
ASN A 135
SER A 162
GLN A 163
HIS A 185
ARG A 189
 None
None
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
None
 0.62A 3a7eA-4p58A:
32.6		 3a7eA-4p58A:
81.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLU A 107
TYR A 138
SER A 162
GLN A 163
HIS A 185
ARG A 189
 None
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
None
 1.06A 3a7eA-4p58A:
32.6		 3a7eA-4p58A:
81.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 VAL A 526
GLU A 902
TYR A 657
ASN A 601
ARG A 604
 None
 1.36A 3a7eA-5iy9A:
0.0		 3a7eA-5iy9A:
7.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c0n PROTEIN (CSDB
PROTEIN)

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 GLY A 224
SER A  32
ILE A 233
ILE A 235
 None
 0.95A 3a7eA-1c0nA:
3.5		 3a7eA-1c0nA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		4 GLY E 223
GLU E 289
ILE E 300
ASP E 227
 None
 0.98A 3a7eA-1cziE:
undetectable		 3a7eA-1cziE:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzg DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00490
(ALAD) 		4 GLY A 106
SER A 163
ILE A 107
GLU A 100
 None
 0.82A 3a7eA-1gzgA:
undetectable		 3a7eA-1gzgA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hml ALPHA-LACTALBUMIN

(Homo sapiens) 		PF00062
(Lys) 		4 GLY A 100
ILE A  95
ILE A  98
ASP A 102
 None
 0.98A 3a7eA-1hmlA:
undetectable		 3a7eA-1hmlA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1khh GUANIDINOACETATE
METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLY A  67
ILE A  88
GLU A  89
ASP A 134
 SAH  A 236 (-3.3A)
None
SAH  A 236 (-2.8A)
SAH  A 236 (-3.4A)
 0.30A 3a7eA-1khhA:
13.4		 3a7eA-1khhA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lia R-PHYCOERYTHRIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		4 GLY B 153
ILE B 151
GLU B 152
ASP B 154
 CYC  B 176 (-3.7A)
CYC  B 176 (-3.8A)
None
None
 0.96A 3a7eA-1liaB:
undetectable		 3a7eA-1liaB:
25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sq1 CHORISMATE SYNTHASE

(Campylobacter
jejuni) 		PF01264
(Chorismate_synt) 		4 GLY A 219
ILE A 280
ILE A 276
ASP A 224
 None
 0.95A 3a7eA-1sq1A:
undetectable		 3a7eA-1sq1A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		4 GLY A  87
SER A  93
ILE A 112
ASP A 163
 SAH  A 301 (-3.4A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.0A)
CA  A 305 (-2.5A)
 0.52A 3a7eA-1susA:
21.5		 3a7eA-1susA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1usv AHA1

(Saccharomyces
cerevisiae) 		PF09229
(Aha1_N) 		4 GLY B  52
ILE B  17
ILE B  50
ASP B  68
 None
 0.93A 3a7eA-1usvB:
undetectable		 3a7eA-1usvB:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ILE A 439
GLU A 438
ILE A 211
ASP A 277
 None
 0.95A 3a7eA-1wkbA:
undetectable		 3a7eA-1wkbA:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ILE A 439
GLU A 438
ILE A 211
ASP A 277
 None
 0.93A 3a7eA-1wz2A:
undetectable		 3a7eA-1wz2A:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLY A  67
ILE A  88
GLU A  89
ASP A 134
 SAH  A 236 (-3.4A)
None
SAH  A 236 (-2.9A)
NMG  A 237 ( 3.0A)
 0.34A 3a7eA-1xcjA:
13.5		 3a7eA-1xcjA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 508
ILE A 510
ILE A 430
ASP A 507
 None
 0.70A 3a7eA-1xkhA:
undetectable		 3a7eA-1xkhA:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8a HYPOTHETICAL PROTEIN
AF1437

(Archaeoglobus
fulgidus) 		no annotation 4 ILE A 226
GLU A 250
ILE A 254
ASP A   5
 None
None
None
MG  A 501 (-2.7A)
 0.97A 3a7eA-1y8aA:
3.3		 3a7eA-1y8aA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ybm UNKNOWN PROTEIN
AT5G02240

(Arabidopsis
thaliana) 		PF13460
(NAD_binding_10) 		4 GLY A 132
SER A  78
ILE A 172
GLU A 159
 NAP  A 400 (-4.4A)
NAP  A 400 (-3.3A)
None
None
 0.85A 3a7eA-1ybmA:
6.0		 3a7eA-1ybmA:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yz6 PROBABLE TRANSLATION
INITIATION FACTOR 2
ALPHA SUBUNIT

(Pyrococcus
abyssi) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		4 GLY A 147
ILE A 148
ILE A 167
ASP A 146
 None
 0.93A 3a7eA-1yz6A:
undetectable		 3a7eA-1yz6A:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a4a DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Plasmodium
yoelii) 		PF01791
(DeoC) 		4 GLY A  82
ILE A 108
ILE A 143
ASP A  84
 None
 0.91A 3a7eA-2a4aA:
undetectable		 3a7eA-2a4aA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		4 GLY A 110
SER A 116
GLU A 134
ASP A 185
 SAM  A 501 (-3.4A)
SAM  A 501 (-3.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-3.4A)
 0.35A 3a7eA-2avdA:
20.9		 3a7eA-2avdA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		4 GLY A  89
SER A  95
ILE A 115
ASP A 160
 SAM  A 301 (-3.3A)
SAM  A 301 (-3.0A)
None
MG  A 300 ( 3.6A)
 0.78A 3a7eA-2br4A:
14.5		 3a7eA-2br4A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		4 GLY A 102
SER A 158
ILE A 103
GLU A  96
 None
 0.68A 3a7eA-2c1hA:
undetectable		 3a7eA-2c1hA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cwl MANGANESE-FREE
PSEUDOCATALASE

(Thermus
thermophilus) 		PF05067
(Mn_catalase) 		4 ILE A 178
GLU A 220
ILE A 218
ASP A 170
 None
 0.80A 3a7eA-2cwlA:
undetectable		 3a7eA-2cwlA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eaq LIM DOMAIN ONLY
PROTEIN 7

(Homo sapiens) 		PF00595
(PDZ) 		4 GLY A1065
ILE A1066
GLU A1087
ILE A1089
 None
 0.92A 3a7eA-2eaqA:
undetectable		 3a7eA-2eaqA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		4 GLY A 256
ILE A 257
ILE A 244
ASP A  79
 None
 0.95A 3a7eA-2eyqA:
2.1		 3a7eA-2eyqA:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i5k UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01704
(UDPGP) 		4 GLY A 458
ILE A 479
ILE A 496
ASP A 460
 None
 0.81A 3a7eA-2i5kA:
undetectable		 3a7eA-2i5kA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijx DNA POLYMERASE
SLIDING CLAMP A

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE A  89
GLU A  88
ILE A  98
ASP A  60
 None
 0.99A 3a7eA-2ijxA:
undetectable		 3a7eA-2ijxA:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ks6 UDP-N-ACETYLGLUCOSAM
INE TRANSFERASE
SUBUNIT ALG13

(Saccharomyces
cerevisiae) 		PF04101
(Glyco_tran_28_C) 		4 GLY A  76
ILE A 106
ILE A  94
ASP A  73
 None
 0.97A 3a7eA-2ks6A:
undetectable		 3a7eA-2ks6A:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		4 GLY A  93
ILE A  95
ILE A  84
ASP A  60
 None
 0.96A 3a7eA-2nypA:
undetectable		 3a7eA-2nypA:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p8j S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF08241
(Methyltransf_11) 		4 GLY A  30
ILE A  51
GLU A  52
ILE A  53
 GOL  A 213 ( 3.7A)
None
GOL  A 213 (-3.6A)
GOL  A 213 (-4.0A)
 0.50A 3a7eA-2p8jA:
11.6		 3a7eA-2p8jA:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2py6 METHYLTRANSFERASE
FKBM

(Methylobacillus
flagellatus) 		PF05050
(Methyltransf_21) 		4 GLY A 233
ILE A 257
GLU A 258
ASP A 341
 UNL  A 414 (-4.0A)
UNL  A 414 (-4.3A)
None
None
 0.41A 3a7eA-2py6A:
10.9		 3a7eA-2py6A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2py6 METHYLTRANSFERASE
FKBM

(Methylobacillus
flagellatus) 		PF05050
(Methyltransf_21) 		4 GLY A 233
SER A 239
ILE A 257
GLU A 258
 UNL  A 414 (-4.0A)
None
UNL  A 414 (-4.3A)
None
 0.51A 3a7eA-2py6A:
10.9		 3a7eA-2py6A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r7y RIBONUCLEASE H

(Bacillus
halodurans) 		no annotation 4 GLY A 103
SER A 147
ILE A 100
ILE A  80
 None
 0.96A 3a7eA-2r7yA:
undetectable		 3a7eA-2r7yA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4) 		PF01771
(Herpes_alk_exo) 		4 GLY A 406
ILE A 336
ILE A 172
ASP A 408
 None
 0.92A 3a7eA-2w45A:
undetectable		 3a7eA-2w45A:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7v PROBABLE
ENDONUCLEASE 4

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		4 GLY A 154
SER A 185
ILE A 153
ILE A 163
 None
 0.67A 3a7eA-2x7vA:
undetectable		 3a7eA-2x7vA:
28.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yv1 SUCCINYL-COA LIGASE
[ADP-FORMING]
SUBUNIT ALPHA

(Methanocaldococcus
jannaschii) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 GLY A 184
ILE A 183
ILE A 125
ASP A 186
 None
 0.96A 3a7eA-2yv1A:
5.1		 3a7eA-2yv1A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A  84
GLU A 107
ILE A 108
ASP A 161
 None
None
None
AG3  A1001 (-2.8A)
 0.72A 3a7eA-2zsuA:
12.9		 3a7eA-2zsuA:
22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		6 GLY A  66
SER A  72
ILE A  89
GLU A  90
ILE A  91
ASP A 141
 SAM  A 301 (-3.2A)
SAM  A 301 (-2.9A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.9A)
MG  A 300 (-2.4A)
 0.39A 3a7eA-3bwmA:
38.9		 3a7eA-3bwmA:
98.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		4 GLY A  78
SER A  84
ILE A 101
ASP A 154
 SAH  A 464 (-3.7A)
SAH  A 464 (-2.8A)
None
CA  A 238 ( 2.2A)
 0.42A 3a7eA-3c3yA:
22.3		 3a7eA-3c3yA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c6a TERMINASE LARGE
SUBUNIT

(Escherichia
virus RB49) 		PF17289
(Terminase_6C) 		4 GLY A 485
ILE A 454
ILE A 546
ASP A 483
 None
 0.95A 3a7eA-3c6aA:
undetectable		 3a7eA-3c6aA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 198
GLU A 220
ILE A 221
ASP A 276
 MTA  A 401 (-3.3A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.8A)
SPM  A 501 ( 3.2A)
 0.82A 3a7eA-3c6mA:
13.7		 3a7eA-3c6mA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION

(Ruegeria
pomeroyi) 		no annotation 4 GLY A  37
SER A  41
GLU A  57
ASP A 128
 None
 0.41A 3a7eA-3cvoA:
13.4		 3a7eA-3cvoA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 GLY A 507
ILE A 478
GLU A 509
ILE A 480
 None
 0.87A 3a7eA-3dduA:
2.5		 3a7eA-3dduA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		4 SER A 119
ILE A  47
ILE A  68
ASP A  72
 SAM  A 220 (-2.8A)
None
None
SAM  A 220 (-2.9A)
 0.98A 3a7eA-3dlcA:
12.9		 3a7eA-3dlcA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 GLY A 859
ILE A 829
ILE A 827
ASP A 910
 None
None
None
CA  A   4 (-2.3A)
 0.83A 3a7eA-3fawA:
undetectable		 3a7eA-3fawA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		4 GLY A  38
ILE A  58
GLU A  59
ILE A  60
 None
 0.56A 3a7eA-3fydA:
13.4		 3a7eA-3fydA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		4 GLY A  38
ILE A  58
GLU A  59
ILE A  60
 SAM  A 300 (-3.3A)
None
SAM  A 300 (-2.8A)
SAM  A 300 (-3.9A)
 0.44A 3a7eA-3gryA:
13.5		 3a7eA-3gryA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		4 GLY A 117
ILE A  80
ILE A  90
ASP A 116
 None
 0.97A 3a7eA-3gveA:
undetectable		 3a7eA-3gveA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLY A 286
SER A 211
GLU A 289
ASP A 284
 None
 0.81A 3a7eA-3iv0A:
undetectable		 3a7eA-3iv0A:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		4 GLY A  37
SER A   7
ILE A  36
ILE A  28
 None
 0.93A 3a7eA-3iwkA:
4.1		 3a7eA-3iwkA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		4 GLY A 101
GLU A 125
ILE A 126
ASP A 169
 SAH  A 301 (-3.1A)
SAH  A 301 (-2.8A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.6A)
 0.34A 3a7eA-3lgaA:
19.7		 3a7eA-3lgaA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		4 GLY A 101
ILE A 154
ILE A 126
ASP A 169
 SAH  A 301 (-3.1A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.6A)
 0.98A 3a7eA-3lgaA:
19.7		 3a7eA-3lgaA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 GLY A 350
ILE A 354
GLU A 352
ASP A 406
 None
 0.76A 3a7eA-3lp8A:
4.3		 3a7eA-3lp8A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		4 GLY A  79
SER A  85
ILE A 101
GLU A 102
 None
SO4  A 233 (-2.6A)
None
None
 0.28A 3a7eA-3ntvA:
21.5		 3a7eA-3ntvA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3okf 3-DEHYDROQUINATE
SYNTHASE

(Vibrio cholerae) 		PF01761
(DHQ_synthase) 		4 GLY A 193
ILE A 194
ILE A 300
ASP A 197
 None
 0.92A 3a7eA-3okfA:
4.7		 3a7eA-3okfA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3orh GUANIDINOACETATE
N-METHYLTRANSFERASE

(Homo sapiens) 		no annotation 4 GLY A  68
ILE A  89
GLU A  90
ASP A 135
 SAH  A4000 (-3.4A)
None
SAH  A4000 (-2.7A)
SAH  A4000 (-3.7A)
 0.35A 3a7eA-3orhA:
13.3		 3a7eA-3orhA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ouh EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 GLY A 261
SER A 274
ILE A 259
GLU A 260
 None
 0.82A 3a7eA-3ouhA:
undetectable		 3a7eA-3ouhA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 GLY A  14
ILE A  12
GLU A  17
ASP A 345
 None
 0.99A 3a7eA-3ppcA:
undetectable		 3a7eA-3ppcA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3prb FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Methanocaldococcus
jannaschii) 		PF00254
(FKBP_C) 		4 GLY A 116
ILE A 109
ILE A 111
ASP A 129
 None
 0.81A 3a7eA-3prbA:
undetectable		 3a7eA-3prbA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 101
GLU A 124
ILE A 125
ASP A 173
 DSH  A 303 (-3.4A)
DSH  A 303 (-2.6A)
DSH  A 303 (-3.8A)
DSH  A 303 (-3.0A)
 0.74A 3a7eA-3rw9A:
11.8		 3a7eA-3rw9A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 4 GLY A 204
SER A 217
ILE A 235
ASP A 275
 SAH  A 601 (-3.5A)
SAH  A 601 (-3.2A)
SAH  A 601 (-3.8A)
MG  A 501 ( 2.8A)
 0.55A 3a7eA-3ssmA:
12.7		 3a7eA-3ssmA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 GLY A 567
ILE A 570
ILE A 495
ASP A 564
 None
 0.93A 3a7eA-3zukA:
undetectable		 3a7eA-3zukA:
15.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 SER E 282
ILE E 354
GLU E 355
ASP E 348
 None
 0.69A 3a7eA-4a0lE:
undetectable		 3a7eA-4a0lE:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aq1 SBSB PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 4 GLY C 822
ILE C 786
GLU C 784
ILE C 782
 CA  C1922 (-4.1A)
None
CA  C1922 (-3.0A)
None
 0.94A 3a7eA-4aq1C:
undetectable		 3a7eA-4aq1C:
12.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 GLY A 515
ILE A 487
GLU A 517
ILE A 489
 None
 0.79A 3a7eA-4bp8A:
undetectable		 3a7eA-4bp8A:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		4 GLY E  81
ILE E 104
GLU E 105
ASP E 150
 None
None
None
C  X   5 ( 3.2A)
 0.59A 3a7eA-4by9E:
12.9		 3a7eA-4by9E:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		4 GLY A 529
ILE A 517
ILE A 519
ASP A 534
 None
 0.89A 3a7eA-4ci8A:
undetectable		 3a7eA-4ci8A:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cz1 KYNURENINE
FORMAMIDASE

(Bacillus
anthracis) 		PF04199
(Cyclase) 		4 SER A  48
ILE A  55
GLU A 173
ILE A 171
 None
None
ZN  A 401 ( 2.1A)
None
 0.99A 3a7eA-4cz1A:
undetectable		 3a7eA-4cz1A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f15 FAB FRAGMENT, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY B  52
GLU B  55
ILE B  50
ASP B  30
 None
 0.98A 3a7eA-4f15B:
undetectable		 3a7eA-4f15B:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gm2 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Plasmodium
falciparum) 		PF00574
(CLP_protease) 		4 GLY A 120
SER A  81
ILE A 121
ILE A 178
 None
 0.94A 3a7eA-4gm2A:
undetectable		 3a7eA-4gm2A:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hw9 MECHANOSENSITIVE
CHANNEL MSCS

(Helicobacter
pylori) 		PF00924
(MS_channel) 		4 GLY A 129
ILE A 127
GLU A 126
ILE A 165
 None
 0.93A 3a7eA-4hw9A:
undetectable		 3a7eA-4hw9A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 GLY A 511
ILE A 509
GLU A 508
ASP A 514
 None
 0.86A 3a7eA-4hwtA:
undetectable		 3a7eA-4hwtA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 2

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		4 GLY A 175
ILE A 177
GLU A 178
ASP A 172
 None
 0.90A 3a7eA-4hzuA:
undetectable		 3a7eA-4hzuA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imm OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Moraxella
catarrhalis) 		PF13360
(PQQ_2) 		4 GLY A 214
ILE A 212
ILE A 219
ASP A 249
 None
None
None
CA  A 407 (-3.3A)
 0.99A 3a7eA-4immA:
undetectable		 3a7eA-4immA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		4 GLY A 655
ILE A 653
ILE A  42
ASP A 658
 None
 0.93A 3a7eA-4k0eA:
undetectable		 3a7eA-4k0eA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kcd GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 3A

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 GLY A 146
ILE A 147
ILE A 159
ASP A 224
 None
 0.94A 3a7eA-4kcdA:
undetectable		 3a7eA-4kcdA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o29 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrobaculum
aerophilum) 		PF01135
(PCMT) 		4 GLY A  80
ILE A 103
GLU A 104
ILE A 105
 SAH  A 500 (-3.1A)
None
SAH  A 500 (-2.8A)
SAH  A 500 (-3.7A)
 0.45A 3a7eA-4o29A:
11.2		 3a7eA-4o29A:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLY A 109
SER A 115
GLU A 133
ILE A 134
ASP A 184
 2F6  A 301 (-3.6A)
None
2F6  A 301 (-2.7A)
2F6  A 301 (-3.7A)
None
 0.69A 3a7eA-4p58A:
32.6		 3a7eA-4p58A:
81.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLY A  64
SER A  70
ILE A  87
GLU A  88
ASP A 136
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
None
SAM  A 301 (-2.6A)
MN  A 303 ( 2.7A)
 0.30A 3a7eA-4pclA:
23.1		 3a7eA-4pclA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x2r 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Actinomyces
urogenitalis) 		PF00977
(His_biosynth) 		4 GLY A 195
ILE A 197
ILE A 218
ASP A 165
 PO4  A 301 (-3.6A)
None
None
None
 0.96A 3a7eA-4x2rA:
undetectable		 3a7eA-4x2rA:
25.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9s PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sp. Mg1) 		PF00977
(His_biosynth) 		4 GLY A 199
ILE A 201
ILE A 222
ASP A 169
 SO4  A 303 ( 3.7A)
None
None
None
 0.93A 3a7eA-4x9sA:
undetectable		 3a7eA-4x9sA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF00180
(Iso_dh) 		4 GLY A 232
ILE A 234
ILE A 113
ASP A 229
 None
None
None
MG  A 401 (-4.0A)
 0.80A 3a7eA-4y1pA:
undetectable		 3a7eA-4y1pA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		4 GLY A  73
SER A  79
GLU A  98
ASP A 144
 SAM  A1001 (-3.3A)
SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
 0.29A 3a7eA-4ymgA:
21.3		 3a7eA-4ymgA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		4 GLY A  31
ILE A  52
GLU A  53
ILE A  54
 SAH  A 201 (-3.4A)
None
SAH  A 201 (-2.8A)
SAH  A 201 (-3.9A)
 0.57A 3a7eA-5bxyA:
14.9		 3a7eA-5bxyA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		4 GLY A1110
ILE A1187
GLU A1186
ILE A1183
 None
 0.85A 3a7eA-5d0fA:
undetectable		 3a7eA-5d0fA:
9.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmp UNCHARACTERIZED
PROTEIN

(Methanocella
paludicola) 		PF13298
(LigD_N) 		4 GLY A 109
ILE A  34
ILE A  30
ASP A 107
 None
 0.93A 3a7eA-5dmpA:
undetectable		 3a7eA-5dmpA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h35 MEMBRANE PROTEIN
TRIC

(Sulfolobus
solfataricus) 		PF03458
(UPF0126) 		4 GLY C 133
SER C  19
ILE C 136
ILE C  48
 None
 0.75A 3a7eA-5h35C:
undetectable		 3a7eA-5h35C:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k66 NTA1P

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		4 GLY A 263
SER A  42
ILE A 264
GLU A 444
 None
 0.96A 3a7eA-5k66A:
undetectable		 3a7eA-5k66A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8d COAGULATION FACTOR
VIII
COAGULATION FACTOR
VIII,IG GAMMA-1
CHAIN C REGION

(Homo sapiens;
Homo sapiens) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		4 GLY A 655
SER A 710
GLU B1793
ILE B1790
 None
 0.98A 3a7eA-5k8dA:
undetectable		 3a7eA-5k8dA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		4 GLY A 101
SER A 107
ILE A 126
ASP A 177
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.2A)
CA  A 302 ( 2.2A)
 0.42A 3a7eA-5kvaA:
21.6		 3a7eA-5kvaA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		4 GLY A  25
ILE A  23
GLU A 197
ASP A  26
 SO4  A 301 (-3.3A)
None
URI  A 303 (-2.7A)
None
 0.97A 3a7eA-5lhvA:
undetectable		 3a7eA-5lhvA:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 GLY A  65
SER A  71
ILE A  88
GLU A  89
ASP A 139
 SAM  A 306 (-3.2A)
SAM  A 306 (-2.2A)
SAM  A 306 ( 4.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
 0.26A 3a7eA-5n5dA:
22.8		 3a7eA-5n5dA:
30.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 4 GLY B 641
ILE B 813
GLU B 638
ILE B 633
 None
 0.97A 3a7eA-5nd1B:
undetectable		 3a7eA-5nd1B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5opt 40S RIBOSOMAL
PROTEIN SA

(Trypanosoma
cruzi) 		no annotation 4 GLY f  29
SER f 173
ILE f  51
ILE f  41
 None
 0.99A 3a7eA-5optf:
undetectable		 3a7eA-5optf:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		4 GLY A 269
SER A 297
ILE A 271
ASP A 268
 None
 0.91A 3a7eA-5vatA:
3.5		 3a7eA-5vatA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		4 GLY A 501
GLU A 524
ILE A 525
ASP A 575
 SAH  A 705 (-3.5A)
SAH  A 705 (-2.7A)
SAH  A 705 (-3.6A)
SAH  A 705 (-3.6A)
 0.44A 3a7eA-5wcjA:
13.7		 3a7eA-5wcjA:
25.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		4 GLY A  66
SER A  72
ILE A  89
ASP A 138
 SAM  A 301 (-3.5A)
SAM  A 301 (-2.8A)
None
SAM  A 301 (-3.6A)
 0.35A 3a7eA-5x7fA:
20.5		 3a7eA-5x7fA:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		4 GLY A  66
SER A  72
ILE A  91
ASP A 138
 SAM  A 301 (-3.5A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.6A)
 0.46A 3a7eA-5x7fA:
20.5		 3a7eA-5x7fA:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 GLY C3566
SER C3537
ILE C3568
ASP C3563
 None
 0.94A 3a7eA-5y3rC:
undetectable		 3a7eA-5y3rC:
4.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLY A  62
SER A  68
ILE A  84
GLU A  85
ASP A 133
 SAM  A 302 (-3.4A)
SAM  A 302 (-2.7A)
SAM  A 302 ( 4.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
 0.29A 3a7eA-5zw4A:
23.5		 3a7eA-5zw4A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 4 GLY A 307
ILE A 310
GLU A 162
ASP A 305
 None
 0.86A 3a7eA-6et9A:
undetectable		 3a7eA-6et9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL

(Mus musculus) 		no annotation 4 GLY F 368
ILE F 399
ILE F 395
ASP F 370
 None
 0.96A 3a7eA-6g2jF:
undetectable		 3a7eA-6g2jF:
undetectable